3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

C10H9N3O2S — CID 4055929

IUPAC3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C10H9N3O2S/c1-15-8-4-2-3-7(5-8)9(14)12-10-13-11-6-16-10/h2-6H,1H3,(H,12,13,14)
InChIKeyUMVWXZHHIZNLAO-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.80
Rot. Bonds3

About 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide

3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (PubChem CID 4055929) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
PubChem CID4055929
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nncs2)c1
InChIInChI=1S/C10H9N3O2S/c1-15-8-4-2-3-7(5-8)9(14)12-10-13-11-6-16-10/h2-6H,1H3,(H,12,13,14)
InChIKeyUMVWXZHHIZNLAO-UHFFFAOYSA-N
XLogP1.80
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 747323
Bas 07005712
CID 656143
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
N-(5-Isopropyl-[1,3,4]thiadiazol-2-yl)-3-methoxy-benzamide
CID 648237
3-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 665956
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
CID 720004
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 754071
4-methoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 938458
3-Methoxy-N-[5-(tetrahydro-furan-2-yl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 2960099

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide (CID 4055929) is 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is COc1cccc(C(=O)Nc2nncs2)c1.
What is the InChIKey of 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
The InChIKey is UMVWXZHHIZNLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-15-8-4-2-3-7(5-8)9(14)12-10-13-11-6-16-10/h2-6H,1H3,(H,12,13,14).
What are the key properties of 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide?
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide has a molecular weight of 235.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide is sourced from PubChem (CID 4055929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).